Monomers
Ethyl 2-chloroacrylate
Identifiers
IUPAC name
ethyl 2-chloroprop-2-enoate
InchI
InChI=1S/C5H7ClO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
InchI Key
CVUNPKSKGHPMSY-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)Cl
Canonical SMILES
CCOC(=O)C(=C)Cl
Isomeric SMILES
CCOC(=O)C(=C)Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H7ClO2
Heavy Atom Count
8
Molecular Weight
134.562
Exact Molecular Weight
134.0135
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.302
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-2.7619 0.3410 0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4572 -0.3557 0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3648 0.3406 -0.2042 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8966 -0.2144 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0117 -1.3288 0.4726 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0972 0.4227 -0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2977 -0.1134 -0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 1.9886 -1.3889 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.2423 0.1500 -0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4743 -0.0875 0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6994 1.4157 0.3643 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3116 -0.5392 1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5053 -1.3394 -0.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1666 0.3907 -0.8717 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4204 -1.0709 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
6 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers